Compound Detail
CHEMBL1159955
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccc(C(N)P(=O)(O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL1159955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFCWFKWCJNVXHO-CSIQULDISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
494.5
MW (Da)
3.89
ALogP
4
HBA
4
HBD
129.7
PSA (Ų)
0.30
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aminopeptidase N CHEMBL2590 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| Neprilysin CHEMBL3768 | Ki | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aminopeptidase N | Ki | = | 3.1 | nM | 8.51 | Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate. | 10753476 |
| Neprilysin | Ki | = | 160.0 | nM | 6.8 | Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate. | 10753476 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10753476 | 10.1021/jm990483l | Aminopeptidase N | 1 |
| 10753476 | 10.1021/jm990483l | Neprilysin | 1 |
Data from ChEMBL 36 via Core Engine